# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-W # implementation = 2025--Sharifi-H--Ni-W--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r Ni W W W Ni Ni 0.02 1.197700222e+06 3.088961997e+06 4.627988409e+05 0.04 4.932375292e+05 1.248039057e+06 1.934542832e+05 0.06 2.777101551e+05 6.913673195e+05 1.101353242e+05 0.08 1.787151328e+05 4.383041981e+05 7.150221648e+04 0.10 1.240870203e+05 2.999739560e+05 5.001136161e+04 0.12 9.052256942e+04 2.157694227e+05 3.671185755e+04 0.14 6.838844966e+04 1.607687646e+05 2.788203775e+04 0.16 5.304362077e+04 1.230150501e+05 2.172048195e+04 0.18 4.200258344e+04 9.612678154e+04 1.725883939e+04 0.20 3.382627309e+04 7.642158391e+04 1.393465691e+04 0.22 2.763015338e+04 6.164460154e+04 1.140112974e+04 0.24 2.284448165e+04 5.034996340e+04 9.434101450e+03 0.26 1.908827210e+04 4.157591708e+04 7.883078369e+03 0.28 1.609885518e+04 3.466336670e+04 6.643823836e+03 0.30 1.369051672e+04 2.914939278e+04 5.642257180e+03 0.32 1.172913952e+04 2.470204377e+04 4.824576857e+03 0.34 1.011609708e+04 2.107899798e+04 4.150981824e+03 0.36 8.777719962e+03 1.810060197e+04 3.591559458e+03 0.38 7.658216872e+03 1.563181665e+04 3.123516198e+03 0.40 6.714814703e+03 1.356987684e+04 2.729270784e+03 0.42 5.914358474e+03 1.183570090e+04 2.395115433e+03 0.44 5.230888478e+03 1.036780348e+04 2.110257711e+03 0.46 4.643890651e+03 9.117925870e+03 1.866125251e+03 0.48 4.137015698e+03 8.047856858e+03 1.655854062e+03 0.50 3.697129074e+03 7.127090008e+03 1.473906825e+03 0.52 3.313600144e+03 6.331081970e+03 1.315785606e+03 0.54 2.977764318e+03 5.639943132e+03 1.177813160e+03 0.56 2.682512291e+03 5.037444034e+03 1.056964878e+03 0.58 2.421974262e+03 4.510256232e+03 9.507388162e+02 0.60 2.191274788e+03 4.047366509e+03 8.570541847e+02 0.62 1.986341260e+03 3.639621799e+03 7.741715794e+02 0.64 1.803753370e+03 3.279373488e+03 7.006299394e+02 0.66 1.640623783e+03 2.960196858e+03 6.351963020e+02 0.68 1.494503127e+03 2.676668799e+03 5.768256025e+02 0.70 1.363303901e+03 2.424190553e+03 5.246283262e+02 0.72 1.245239060e+03 2.198845260e+03 4.778442944e+02 0.74 1.138772326e+03 1.997283124e+03 4.358213702e+02 0.76 1.042577700e+03 1.816628175e+03 3.979980540e+02 0.78 9.555062899e+02 1.654402130e+03 3.638891798e+02 0.80 8.765590646e+02 1.508462034e+03 3.330741409e+02 0.82 8.048643162e+02 1.376948825e+03 3.051871291e+02 0.84 7.396589433e+02 1.258244725e+03 2.799090185e+02 0.86 6.802728669e+02 1.150937851e+03 2.569606004e+02 0.88 6.261159591e+02 1.053792600e+03 2.360969052e+02 0.90 5.766670606e+02 9.657248253e+02 2.171024320e+02 0.92 5.314647161e+02 8.857809413e+02 1.997871246e+02 0.94 4.900993097e+02 8.131202281e+02 1.839829582e+02 0.96 4.522063862e+02 7.469998374e+02 1.695410437e+02 0.98 4.174609484e+02 6.867620225e+02 1.563291582e+02 1.00 3.855725663e+02 6.318232145e+02 1.442296309e+02 1.02 3.562876432e+02 5.816646774e+02 1.331250128e+02 1.04 3.283156902e+02 5.358244648e+02 1.227064231e+02 1.06 3.004017210e+02 4.938904843e+02 1.128558849e+02 1.08 2.732054563e+02 4.554945108e+02 1.035530988e+02 1.10 2.471991610e+02 4.203069887e+02 9.478192872e+01 1.12 2.226866030e+02 3.880325189e+02 8.652852875e+01 1.14 1.998447289e+02 3.584059321e+02 7.878000427e+01 1.16 1.787563262e+02 3.311888540e+02 7.152347279e+01 1.18 1.594354606e+02 3.061667066e+02 6.474544683e+01 1.20 1.418472066e+02 2.831460781e+02 5.843146989e+01 1.22 1.259228501e+02 2.619524110e+02 5.256594699e+01 1.24 1.115714962e+02 2.424279709e+02 4.713211923e+01 1.26 9.868885721e+01 2.244300549e+02 4.211214161e+01 1.28 8.716381595e+01 2.078305263e+02 3.748723073e+01 1.30 7.688325079e+01 1.919238032e+02 3.323785540e+01 1.32 6.773550889e+01 1.759334068e+02 2.934394994e+01 1.34 5.961283122e+01 1.602662105e+02 2.578513409e+01 1.36 5.241297557e+01 1.452189403e+02 2.254092813e+01 1.38 4.604022697e+01 1.309857738e+02 1.959095496e+01 1.40 4.040594938e+01 1.176833735e+02 1.691512357e+01 1.42 3.542879762e+01 1.053705770e+02 1.449379077e+01 1.44 3.103468047e+01 9.406380850e+01 1.230789933e+01 1.46 2.715655073e+01 8.374905855e+01 1.033909233e+01 1.48 2.373407534e+01 7.439114680e+01 8.569804248e+00 1.50 2.071322872e+01 6.594081913e+01 6.983329915e+00 1.52 1.804584345e+01 5.834013058e+01 5.563873368e+00 1.54 1.568913961e+01 5.152648204e+01 4.296578166e+00 1.56 1.360525233e+01 4.543559659e+01 3.167541537e+00 1.58 1.176077028e+01 4.000367172e+01 2.163814621e+00 1.60 1.012629215e+01 3.516888918e+01 1.273390540e+00 1.62 8.676008971e+00 3.087243283e+01 4.851827098e-01 1.64 7.387314606e+00 2.705913279e+01 -2.110048446e-01 1.66 6.240446021e+00 2.367782626e+01 -8.245136511e-01 1.68 5.218154859e+00 2.068150996e+01 -1.363871482e+00 1.70 4.305408971e+00 1.802733975e+01 -1.836836508e+00 1.72 3.489123117e+00 1.567652185e+01 -2.250443662e+00 1.74 2.757917787e+00 1.359413118e+01 -2.611051967e+00 1.76 2.101903645e+00 1.174888114e+01 -2.924392267e+00 1.78 1.512490172e+00 1.011286584e+01 -3.195614473e+00 1.80 9.822164362e-01 8.661289167e+00 -3.429333743e+00 1.82 5.046020070e-01 7.372190098e+00 -3.629675025e+00 1.84 7.401613169e-02 6.226177368e+00 -3.800315739e+00 1.86 -3.144368287e-01 5.206173556e+00 -3.944526367e+00 1.88 -6.650174321e-01 4.297172615e+00 -4.065208808e+00 1.90 -9.814380721e-01 3.486014460e+00 -4.164932226e+00 1.92 -1.266938454e+00 2.761176953e+00 -4.245966471e+00 1.94 -1.524350924e+00 2.112585831e+00 -4.310313064e+00 1.96 -1.756156832e+00 1.531442668e+00 -4.359733686e+00 1.98 -1.964535163e+00 1.010069690e+00 -4.395776385e+00 2.00 -2.151404320e+00 5.417709429e-01 -4.419799502e+00 2.02 -2.318458013e+00 1.207087337e-01 -4.432996272e+00 2.04 -2.467196061e+00 -2.582060834e-01 -4.436437131e+00 2.06 -2.598951497e+00 -5.994108181e-01 -4.431100446e+00 2.08 -2.714931263e+00 -9.067750872e-01 -4.417881444e+00 2.10 -2.816262127e+00 -1.183674898e+00 -4.397599060e+00 2.12 -2.904001919e+00 -1.433059688e+00 -4.371002213e+00 2.14 -2.979143474e+00 -1.657509243e+00 -4.338775575e+00 2.16 -3.042618287e+00 -1.859282994e+00 -4.301544884e+00 2.18 -3.095299909e+00 -2.040362865e+00 -4.259881798e+00 2.20 -3.138007078e+00 -2.202490879e+00 -4.214308381e+00 2.22 -3.171506633e+00 -2.347202976e+00 -4.165301200e+00 2.24 -3.196516234e+00 -2.475861721e+00 -4.113295100e+00 2.26 -3.213706954e+00 -2.589693393e+00 -4.058686664e+00 2.28 -3.223705801e+00 -2.689847232e+00 -4.001837390e+00 2.30 -3.227098236e+00 -2.777518150e+00 -3.943076599e+00 2.32 -3.224430715e+00 -2.854134696e+00 -3.882704111e+00 2.34 -3.216213295e+00 -2.921683736e+00 -3.820992693e+00 2.36 -3.202922280e+00 -2.983157063e+00 -3.758190304e+00 2.38 -3.185002862e+00 -3.042087878e+00 -3.694522150e+00 2.40 -3.162871696e+00 -3.094847986e+00 -3.630192574e+00 2.42 -3.136919322e+00 -3.096680116e+00 -3.565386782e+00 2.44 -3.107512337e+00 -2.923009478e+00 -3.500272426e+00 2.46 -3.074995242e+00 -2.518679710e+00 -3.435001060e+00 2.48 -3.039691928e+00 -2.074580113e+00 -3.369709467e+00 2.50 -3.001906759e+00 -1.767465194e+00 -3.304520680e+00 2.52 -2.961925307e+00 -1.603474299e+00 -3.239540871e+00 2.54 -2.920014778e+00 -1.526343877e+00 -3.174861427e+00 2.56 -2.876424228e+00 -1.491198565e+00 -3.110564697e+00 2.58 -2.831384691e+00 -1.473796920e+00 -3.046724868e+00 2.60 -2.785109316e+00 -1.462987197e+00 -2.983408594e+00 2.62 -2.737793630e+00 -1.454096037e+00 -2.920675564e+00 2.64 -2.689616006e+00 -1.445306062e+00 -2.858579042e+00 2.66 -2.640738386e+00 -1.435969177e+00 -2.797166355e+00 2.68 -2.591307277e+00 -1.425888106e+00 -2.736479359e+00 2.70 -2.541454993e+00 -1.415029567e+00 -2.676554860e+00 2.72 -2.491301086e+00 -1.403416159e+00 -2.617425017e+00 2.74 -2.440953885e+00 -1.391087855e+00 -2.559117705e+00 2.76 -2.390512042e+00 -1.378088693e+00 -2.501656861e+00 2.78 -2.340065986e+00 -1.364461678e+00 -2.445062804e+00 2.80 -2.289699194e+00 -1.350248974e+00 -2.389352528e+00 2.82 -2.239489218e+00 -1.335491932e+00 -2.334539981e+00 2.84 -2.189508429e+00 -1.320230948e+00 -2.280636320e+00 2.86 -2.139824477e+00 -1.304505382e+00 -2.227650148e+00 2.88 -2.090500514e+00 -1.288353514e+00 -2.175587736e+00 2.90 -2.041595232e+00 -1.271812493e+00 -2.124453228e+00 2.92 -1.993162789e+00 -1.254918313e+00 -2.074248831e+00 2.94 -1.945252719e+00 -1.237705784e+00 -2.024974989e+00 2.96 -1.897909867e+00 -1.220208519e+00 -1.976630551e+00 2.98 -1.851174414e+00 -1.202458916e+00 -1.929212918e+00 3.00 -1.805081995e+00 -1.184488157e+00 -1.882718183e+00 3.02 -1.759663919e+00 -1.166326206e+00 -1.837141261e+00 3.04 -1.714947453e+00 -1.148001810e+00 -1.792476008e+00 3.06 -1.670956151e+00 -1.129542508e+00 -1.748715329e+00 3.08 -1.627710193e+00 -1.110974640e+00 -1.705851280e+00 3.10 -1.585226703e+00 -1.092323363e+00 -1.663875163e+00 3.12 -1.543520043e+00 -1.073612668e+00 -1.622777608e+00 3.14 -1.502602075e+00 -1.054865394e+00 -1.582548653e+00 3.16 -1.462482380e+00 -1.036103255e+00 -1.543177817e+00 3.18 -1.423168460e+00 -1.017346860e+00 -1.504654165e+00 3.20 -1.384665916e+00 -9.986157346e-01 -1.466966368e+00 3.22 -1.346978607e+00 -9.799283536e-01 -1.430102760e+00 3.24 -1.310108801e+00 -9.613021616e-01 -1.394051389e+00 3.26 -1.274057311e+00 -9.427536031e-01 -1.358800059e+00 3.28 -1.238823632e+00 -9.242981509e-01 -1.324336378e+00 3.30 -1.204406054e+00 -9.059503342e-01 -1.290647792e+00 3.32 -1.170801786e+00 -8.877237688e-01 -1.257721624e+00 3.34 -1.138007060e+00 -8.696311856e-01 -1.225545102e+00 3.36 -1.106017235e+00 -8.516844614e-01 -1.194105390e+00 3.38 -1.074826887e+00 -8.338946475e-01 -1.163389613e+00 3.40 -1.044429907e+00 -8.162720002e-01 -1.133384883e+00 3.42 -1.014819575e+00 -7.988260097e-01 -1.104078320e+00 3.44 -9.859886425e-01 -7.815654295e-01 -1.075457068e+00 3.46 -9.579294013e-01 -7.644983051e-01 -1.047508319e+00 3.48 -9.306337489e-01 -7.476320031e-01 -1.020219323e+00 3.50 -9.040932473e-01 -7.309732383e-01 -9.935774036e-01 3.52 -8.782991749e-01 -7.145281024e-01 -9.675699743e-01 3.54 -8.532425731e-01 -6.983020903e-01 -9.421845458e-01 3.56 -8.289142842e-01 -6.823001267e-01 -9.174087381e-01 3.58 -8.053049830e-01 -6.665265927e-01 -8.932302893e-01 3.60 -7.824052000e-01 -6.509853502e-01 -8.696370638e-01 3.62 -7.602053351e-01 -6.356797674e-01 -8.466170594e-01 3.64 -7.386956625e-01 -6.206127424e-01 -8.241584136e-01 3.66 -7.178663244e-01 -6.057867268e-01 -8.022494090e-01 3.68 -6.977073127e-01 -5.912037483e-01 -7.808784784e-01 3.70 -6.782084382e-01 -5.768654329e-01 -7.600342087e-01 3.72 -6.593592860e-01 -5.627730260e-01 -7.397053447e-01 3.74 -6.411491544e-01 -5.489274134e-01 -7.198807919e-01 3.76 -6.235669795e-01 -5.353291414e-01 -7.005496190e-01 3.78 -6.066012417e-01 -5.219784354e-01 -6.817010604e-01 3.80 -5.902398556e-01 -5.088752196e-01 -6.633245172e-01 3.82 -5.744700438e-01 -4.960191341e-01 -6.454095591e-01 3.84 -5.592781956e-01 -4.834095527e-01 -6.279459249e-01 3.86 -5.446497134e-01 -4.710455994e-01 -6.109235234e-01 3.88 -5.305688523e-01 -4.589261647e-01 -5.943324336e-01 3.90 -5.170185572e-01 -4.470499204e-01 -5.781629049e-01 3.92 -5.039803086e-01 -4.354153351e-01 -5.624053566e-01 3.94 -4.914339848e-01 -4.240206880e-01 -5.470503782e-01 3.96 -4.793577569e-01 -4.128640825e-01 -5.320887280e-01 3.98 -4.677280281e-01 -4.019434594e-01 -5.175113331e-01 4.00 -4.565194354e-01 -3.912566090e-01 -5.033092879e-01 4.02 -4.457049289e-01 -3.808011833e-01 -4.894738534e-01 4.04 -4.352559410e-01 -3.705747074e-01 -4.759964561e-01 4.06 -4.251426579e-01 -3.605745901e-01 -4.628686863e-01 4.08 -4.153343949e-01 -3.507981343e-01 -4.500822969e-01 4.10 -4.058000734e-01 -3.412425469e-01 -4.376292020e-01 4.12 -3.965087844e-01 -3.319049484e-01 -4.255014750e-01 4.14 -3.874304161e-01 -3.227823812e-01 -4.136913474e-01 4.16 -3.785363123e-01 -3.138718186e-01 -4.021912065e-01 4.18 -3.697999216e-01 -3.051701727e-01 -3.909935939e-01 4.20 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